6-Fluorochroman-4-amine

Base Information

• Chemical Name: 6-Fluorochroman-4-amine
• CAS No.: 238764-22-2
• Molecular Formula: C₉H₁₀FNO
• Molecular Weight: 167.183
• European Community (EC) Number: 821-546-3
• ChEMBL ID: CHEMBL4517610
• DSSTox Substance ID: DTXSID00585685
• Mol file: 238764-22-2.mol

Synonyms:6-fluorochroman-4-amine;238764-22-2;6-FLUORO-CHROMAN-4-YLAMINE;6-fluoro-3,4-dihydro-2H-chromen-4-amine;6-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine;MFCD07371532;4-Amino-6-fluorochromane;6-fluorochroman-4-ylamine;SCHEMBL1239304;CHEMBL4517610;DTXSID00585685;WVQYSVLMDHXHOV-UHFFFAOYSA-N;BCP26629;BCP26874;AKOS005146411;AB29104;AB29106;AB32592;AC-31650;AS-57997;SY123736;AM20030419;CS-0005276;A15401;EN300-146250;Y10104;J-518745

Chemical Property of 6-Fluorochroman-4-amine

Chemical Property:

• Vapor Pressure: 0.068mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 230℃
• PKA: 9.12±0.20(Predicted)
• Flash Point: 93℃
• PSA: 35.25000
• Density: 1.201
• LogP: 2.30830
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.074642105
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99%, ^*data from raw suppliers

6-Fluorochroman-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C1N)C=C(C=C2)F

Technology Process of 6-Fluorochroman-4-amine

There total 5 articles about 6-Fluorochroman-4-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 46.0%

(E)-6-fluorochroman-4-one O-methyl oxime → 6-fluorochroman-4-amine (1018978-85-2,238764-22-2,911825-61-1)

Guidance literature:

With palladium 10% on activated carbon; ammonia; hydrogen; In methanol; for 48h; under 3102.97 Torr;

DOI:10.1021/acs.orglett.8b00558

Reference yield:

6-fluoro-chroman-4-one O-methyl-oxime (890839-05-1) → 6-fluorochroman-4-amine (1018978-85-2,238764-22-2,911825-61-1)

Guidance literature:

With palladium 10% on activated carbon; ammonia; hydrogen; In methanol; at 20 ℃; for 1h; under 3102.97 Torr;

DOI:10.1016/j.bmcl.2011.01.056

Reference yield:

6-fluoro-4-chromanone (66892-34-0) → 6-fluorochroman-4-amine (1018978-85-2,238764-22-2,911825-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 24 h / 20 °C

2: palladium 10% on activated carbon; ammonia; hydrogen / methanol / 1 h / 20 °C / 3102.97 Torr

With pyridine; palladium 10% on activated carbon; ammonia; hydrogen; In methanol;

DOI:10.1016/j.bmcl.2011.01.056

upstream raw materials:

C₉H₈FNO₂

6-fluoro-chroman-4-one O-methyl-oxime

6-fluoro-4-chromanone

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